Improving the Odds in Discriminating “Drug-like” from “Non Drug-like” Compounds
Data up to Jan 2025
Total Citations Per Year
Abstract
References (26)
Numerical recipes in C: the art of scientific computing
1993 • 18,639 citations
Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings 1PII of original article: S0169-409X(96)00423-1. The article was originally published in Advanced Drug Delivery Reviews 23 (1997) 3–25. 1
2001 • 16,438 citations
Parallel Distributed Processing: Explorations in the Microstructure of Cognition: Foundations
1986 • 15,232 citations
Parallel Distributed Processing
1986 • 14,631 citations
Prediction of Protein Secondary Structure at Better than 70% Accuracy
1993 • 2,958 citations
Molecular Modelling: Principles and Applications
1996 • 1,937 citations
Neural networks for control systems—A survey
1992 • 1,863 citations
Predicting the secondary structure of globular proteins using neural network models
1988 • 1,243 citations
Applications of Combinatorial Technologies to Drug Discovery. 1. Background and Peptide Combinatorial Libraries
1994 • 1,130 citations
Applications of Combinatorial Technologies to Drug Discovery. 2. Combinatorial Organic Synthesis, Library Screening Strategies, and Future Directions
1994 • 1,126 citations
Bioinformatics: The Machine Learning Approach
1998 • 942 citations
Prediction of human mRNA donor and acceptor sites from the DNA sequence
1991 • 798 citations
Can We Learn To Distinguish between “Drug-like” and “Nondrug-like” Molecules?
1998 • 470 citations
Molecular modelling: Principles and applications
1997 • 421 citations
A Scoring Scheme for Discriminating between Drugs and Nondrugs
1998 • 386 citations
Molecular Similarity in Drug Design
1995 • 289 citations
Applications of neural networks in quantitative structure-activity relationships of dihydrofolate reductase inhibitors
1991 • 285 citations
Bioinformatics: The machine learning approach
1998 • 179 citations
Identification of Biological Activity Profiles Using Substructural Analysis and Genetic Algorithms
1998 • 175 citations
Artificial neural networks for molecular sequence analysis
1997 • 111 citations
Prediction of β-turns in proteins using neural networks
1989 • 103 citations
Automated analysis of nuclear magnetic resonance assignments for proteins
1995 • 45 citations
Identification and control of anaerobic digesters using adaptive, on-line trained neural networks
1997 • 29 citations
A pattern classification procedure integrating the multivariate statistical analysis with neural networks
1997 • 12 citations
Modeling Complex Data for Creating Information
1996 • 8 citations
Neural networks in the search for similarity and structure — activity
1995 • 5 citations